Chlorine in PDB 7o1y: X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl

Enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl

All present enzymatic activity of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl:
3.4.21.75;

Protein crystallography data

The structure of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl, PDB code: 7o1y was solved by S.O.Dahms, H.Brandstetter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	45.94 / 1.70
*Space group*	P 6₅ 2 2
*Cell size a, b, c (Å), α, β, γ (°)*	131.058, 131.058, 156.451, 90, 90, 120
*R / R_free (%)*	16.2 / 17.7

Other elements in 7o1y:

The structure of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Calcium	(Ca)	3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl (pdb code 7o1y). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl, PDB code: 7o1y:

Chlorine binding site 1 out of 1 in 7o1y

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Chlorine Binding Sites List in 7o1y

Chlorine binding site 1 out of 1 in the X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl

Mono view

Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of Furin in Complex with the Guanylhydrazone-Based Inhibitor 2 (MI307) Soaked at 0.25 M Nacl within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:Cl609 b:23.7 occ:1.00	HZ2	A:LYS449	2.2	28.3	1.0
	HH	A:TYR571	2.3	26.5	1.0
	HD2	A:LYS449	3.0	26.3	1.0
	HE1	A:TYR571	3.1	24.9	1.0
	NZ	A:LYS449	3.1	23.5	1.0
	OH	A:TYR571	3.1	22.1	1.0
	O	A:HOH718	3.3	24.4	0.7
	HZ1	A:LYS449	3.4	28.3	1.0
	HE2	A:PHE275	3.5	16.4	0.5
	HZ3	A:LYS449	3.6	28.3	1.0
	HE3	A:LYS449	3.6	24.9	1.0
	OH	A:TYR313	3.7	30.7	1.0
	CE	A:LYS449	3.7	20.8	1.0
	HH	A:TYR313	3.7	36.8	1.0
	CE1	A:TYR571	3.8	20.7	1.0
	CD	A:LYS449	3.8	21.9	1.0
	O	A:HOH1000	3.9	15.6	0.4
	CZ	A:TYR571	3.9	21.6	1.0
	HD3	A:LYS449	4.3	26.3	1.0
	HH12	A:ARG490	4.3	26.3	1.0
	CE2	A:PHE275	4.4	13.6	0.5
	O	A:HOH1000	4.5	14.2	0.6
	H12	A:DMS611	4.6	50.4	0.3
	HE2	A:LYS449	4.7	24.9	1.0
	HD2	A:PHE275	4.8	26.4	0.5
	HG3	A:LYS449	4.9	24.3	1.0
	CG	A:LYS449	4.9	20.2	1.0
	HD11	A:ILE312	5.0	27.0	1.0
	HB2	A:LYS449	5.0	25.3	1.0

Reference:

S.O.Dahms, T.Haider, G.Klebe, T.Steinmetzer, H.Brandstetter. Off-State-Specific Inhibition of the Proprotein Convertase Furin. Acs Chem.Biol. 2021.
ISSN: ESSN 1554-8937
PubMed: 34415722
DOI: 10.1021/ACSCHEMBIO.1C00411

Page generated: Sun Jul 13 04:40:25 2025

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